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| CAS No.: | 37865-96-6 |
|---|---|
| Name: | 2-(2-BROMOETHYL)-2-METHYL-1,3-DIOXOLANE |
| Molecular Structure: | |
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| Formula: | C6H11BrO2 |
| Molecular Weight: | 195.056 |
| Synonyms: | Bromoethylmethyldioxolane; |
| Density: | 1.393 g/cm3 |
| Boiling Point: | 203 °C at 760 mmHg |
| Flash Point: | 80.3 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 18.46000 |
| LogP: | 1.53440 |
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Specification
The 1,3-Dioxolane,2-(2-bromoethyl)-2-methyl-, with the CAS registry number 37865-96-6, is also known as Bromoethylmethyldioxolane. It belongs to the product categories of Dioxanes & Dioxolanes; Dioxolanes. This chemical's molecular formula is C6H11BrO2 and molecular weight is 195.0543. What's more, its systematic name is 2-(2-Bromoethyl)-2-methyl-1,3-dioxolane.
Physical properties about 1,3-Dioxolane,2-(2-bromoethyl)-2-methyl- are: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.465; (8)Molar Refractivity: 38.71 cm3; (9)Molar Volume: 139.9 cm3; (10)Polarizability: 15.34×10-24 cm3; (11)Surface Tension: 38.7 dyne/cm; (12)Density: 1.393 g/cm3; (13)Flash Point: 80.3 °C; (14)Enthalpy of Vaporization: 42.13 kJ/mol; (15)Boiling Point: 203 °C at 760 mmHg; (16)Vapour Pressure: 0.405 mmHg at 25 °C.
Preparation of 1,3-Dioxolane,2-(2-bromoethyl)-2-methyl-: this chemical can be prepared by 2-(2-Methyl-[1,3]dioxolan-2-yl)-ethanol. This reaction needs reagents Ph3PBr2 and Pyridine during the temperature between -10 °C and 20 °C. In addition, the reaction time is 1.5 hours and the yield is 75%.
![1,3-Dioxolane,2-(2-bromoethyl)-2-methyl- can be prepared by 2-(2-Methyl-[1,3]dioxolan-2-yl)-ethanol](/UserFilesUpload/Preparation of 1,3-Dioxolane,2-(2-bromoethyl)-2-methyl-.png)
Use of 1,3-Dioxolane,2-(2-bromoethyl)-2-methyl-: it is used to produce other chemicals. For example, it is used to produce 7,8-Dimethyl-N5-deazapterin-HBr. This reaction will occur at the temperature of 60 °C for 16 hours. And the yield is 70%.
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When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: BrCCC1(OCCO1)C
(2) InChI: InChI=1/C6H11BrO2/c1-6(2-3-7)8-4-5-9-6/h2-5H2,1H3
(3) InChIKey: SZLPRRVCSGZARF-UHFFFAOYAE